SCHEMBL7150227

SCHEMBL7150227

CCOCCOc1ccc(CC(C)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.53
POLB P06746 1/20 0.51
THRA P10827 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
PDE4A P27815 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
PLA2G4B P0C869 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6597221 0.85 PLA2G4B (0.57) ACACBTHRAKDM4ECYP1A2CYP2D6
SCHEMBL8347541 0.84 KDM4E (0.68) POLBKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL9632476 0.84 LMNA (0.60) ACACBPOLBKDM4ECYP1A2CYP2D6
SCHEMBL2628188 0.84 POLB (0.59) POLBKDM4ECYP1A2SMN1; SMN2ALDH1A1
SCHEMBL9787773 0.84 TBXAS1 (0.57) ACACBTHRAKDM4ECYP1A2CYP2D6
Bromide SCHEMBL31603901 0.83 LMNA (0.58) ACACBPOLBKDM4ECYP1A2CYP2D6
SCHEMBL10861821 0.83 PKM (0.58) POLBKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL874241 0.83 POLB (0.54) ACACBPOLBKDM4ECYP1A2CYP2D6
SCHEMBL4897331 0.81 POLB (0.53) POLBKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL7153441 0.81 POLB (0.56) POLBKDM4ECYP1A2CYP2D6PDE4A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030143701-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. 2003-07-31 US disclosed
EP-0924194-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-05-14 EP disclosed
US-6528686-B1 Reacting primary amine and ketone functionalized derivatives; catalytically reducing DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-04 US disclosed
EP-0924193-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-02-19 EP disclosed
EP-0939134-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2002-09-11 EP disclosed
US-6114582-A DECYCLIZATION TO FORM A CHEMICAL INTERMEDIATE FOR PRODUCING AN ANTI-OBESITY AGENT AND ANTIDIABETIC AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-05 US disclosed
EP-0654534-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2000-03-01 EP disclosed
EP-0939134-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-01 EP disclosed
EP-0924194-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
EP-0924193-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed
EP-0654534-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-24 EP disclosed
EP-0239815-B1 SUBSTITUTED THIAZOLES AND OXAZOLES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1991-07-24 EP disclosed
US-5010091-A Animal growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed
EP-0384193-A2 2,4-Dihalogen-6-pyridyl ethanol-phenyl isopropyl amines, process for their preparation and their use to shift the protein-fat ratio in favour of protein BAYER AG (DE) 1990-08-29 EP disclosed
EP-0239815-A1 Substituted thiazoles and oxazoles, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-10-07 EP disclosed